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Ligand

NameCHEMBL222356
Molecular formulaC27H27FN2O4
IUPAC name5-[[4-[6-fluoro-1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid
Molecular weight462.521
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.1
SynonymsBDBM50156877
SCHEMBL5348129
5-[4-(6-fluoro-1-furan-3-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]-2-methoxybenzoic acid
Inchi KeyPLADVISFXRAPMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27FN2O4/c1-33-26-5-2-18(12-23(26)27(31)32)14-29-9-6-20(7-10-29)24-16-30(15-19-8-11-34-17-19)25-13-21(28)3-4-22(24)25/h2-5,8,11-13,16-17,20H,6-7,9-10,14-15H2,1H3,(H,31,32)
PubChem CID10139591
ChEMBLCHEMBL222356
IUPHARN/A
BindingDB50156877
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
262396Histamine H1 receptorP70174Hrh1Mus musculus (Mouse)488
262398Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
262397Histamine H2 receptorP25021HRH2Homo sapiens (Human)359

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